CID 6480858

Chembl371786

Structural Information

Molecular Formula
C21H25N7
SMILES
CC1=C(C=CC(=C1)N=C(N)N)C2=CC=C(N2C)C3=C(C=C(C=C3)N=C(N)N)C
InChI
InChI=1S/C21H25N7/c1-12-10-14(26-20(22)23)4-6-16(12)18-8-9-19(28(18)3)17-7-5-15(11-13(17)2)27-21(24)25/h4-11H,1-3H3,(H4,22,23,26)(H4,24,25,27)
InChIKey
NDDIWZSPHDZJBB-UHFFFAOYSA-N
Compound name
2-[4-[5-[4-(diaminomethylideneamino)-2-methylphenyl]-1-methylpyrrol-2-yl]-3-methylphenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.21713 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.22441 193.7
[M+Na]+ 398.20635 199.7
[M-H]- 374.20985 204.4
[M+NH4]+ 393.25095 205.2
[M+K]+ 414.18029 194.9
[M+H-H2O]+ 358.21439 183.1
[M+HCOO]- 420.21533 221.3
[M+CH3COO]- 434.23098 241.1
[M+Na-2H]- 396.19180 191.6
[M]+ 375.21658 189.7
[M]- 375.21768 189.7
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.