CID 135484887

Nsc657778

Structural Information

Molecular Formula
C33H33N9
SMILES
CC1=CN2C(=[N+](C(=C2)C3=CC=C(C=C3)/C=N/NC(=N)N/N=C/C4=CC=C(C=C4)C5=CN6C(=[N+]5C)C=CC(=C6)C)C)C=C1
InChI
InChI=1S/C33H33N9/c1-23-5-15-31-39(3)29(21-41(31)19-23)27-11-7-25(8-12-27)17-35-37-33(34)38-36-18-26-9-13-28(14-10-26)30-22-42-20-24(2)6-16-32(42)40(30)4/h5-22H,1-4H3,(H3,34,37,38)/q+2/b35-17+,36-18+
InChIKey
HDFLHUQRERSABI-PKRYOZTKSA-N
Compound name
1,3-bis[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-1-ium-2-yl)phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

555.2859 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.29318 238.1
[M+Na]+ 578.27512 244.4
[M-H]- 554.27862 251.9
[M+NH4]+ 573.31972 241.7
[M+K]+ 594.24906 224.8
[M+H-H2O]+ 538.28316 228.7
[M+HCOO]- 600.28410 261.8
[M+CH3COO]- 614.29975 254.8
[M+Na-2H]- 576.26057 246.2
[M]+ 555.28535 240.1
[M]- 555.28645 240.1
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.