CID 436009

Nsc380503

Structural Information

Molecular Formula
C22H23N5O3S
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=NC2C(=O)N3C4=CC=CC=C4N=C3S2
InChI
InChI=1S/C22H23N5O3S/c1-3-26(4-2)13-14-30-21(29)15-9-11-16(12-10-15)24-25-19-20(28)27-18-8-6-5-7-17(18)23-22(27)31-19/h5-12,19H,3-4,13-14H2,1-2H3
InChIKey
FDOCEPSCTAMALS-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.15216 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.15944 203.6
[M+Na]+ 460.14138 211.3
[M-H]- 436.14488 214.1
[M+NH4]+ 455.18598 217.7
[M+K]+ 476.11532 208.0
[M+H-H2O]+ 420.14942 194.4
[M+HCOO]- 482.15036 225.3
[M+CH3COO]- 496.16601 240.7
[M+Na-2H]- 458.12683 204.8
[M]+ 437.15161 214.0
[M]- 437.15271 214.0
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.