CID 172559

Deqkxnjrddbtry-uhfffaoysa-n

Structural Information

Molecular Formula
C38H37N7
SMILES
CC1(C2=CC=CC=C2N(C1=CC=NC3=CC=C(C=C3)N4N=C5C=CC(=CC5=N4)N=CC=C6C(C7=CC=CC=C7N6C)(C)C)C)C
InChI
InChI=1S/C38H37N7/c1-37(2)29-11-7-9-13-33(29)43(5)35(37)21-23-39-26-15-18-28(19-16-26)45-41-31-20-17-27(25-32(31)42-45)40-24-22-36-38(3,4)30-12-8-10-14-34(30)44(36)6/h7-25H,1-6H3
InChIKey
OZXLPLPXCSYOAH-UHFFFAOYSA-N
Compound name
2-(1,3,3-trimethylindol-2-ylidene)-N-[4-[5-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]benzotriazol-2-yl]phenyl]ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

591.31104 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.31832 248.1
[M+Na]+ 614.30026 258.8
[M-H]- 590.30376 261.3
[M+NH4]+ 609.34486 257.3
[M+K]+ 630.27420 247.2
[M+H-H2O]+ 574.30830 232.9
[M+HCOO]- 636.30924 265.3
[M+CH3COO]- 650.32489 254.7
[M+Na-2H]- 612.28571 242.7
[M]+ 591.31049 252.6
[M]- 591.31159 252.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.