CID 6480861

1-[5-chloro-2-[5-(4-chloro-2-guanidino-phenyl)-1-methyl-pyrrol-2-yl]phenyl]guanidine

Structural Information

Molecular Formula
C19H19Cl2N7
SMILES
CN1C(=CC=C1C2=C(C=C(C=C2)Cl)N=C(N)N)C3=C(C=C(C=C3)Cl)N=C(N)N
InChI
InChI=1S/C19H19Cl2N7/c1-28-16(12-4-2-10(20)8-14(12)26-18(22)23)6-7-17(28)13-5-3-11(21)9-15(13)27-19(24)25/h2-9H,1H3,(H4,22,23,26)(H4,24,25,27)
InChIKey
VJGQAQOHYZKTFI-UHFFFAOYSA-N
Compound name
2-[5-chloro-2-[5-[4-chloro-2-(diaminomethylideneamino)phenyl]-1-methylpyrrol-2-yl]phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.1079 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.11518 205.5
[M+Na]+ 438.09712 213.4
[M-H]- 414.10062 215.1
[M+NH4]+ 433.14172 216.7
[M+K]+ 454.07106 206.2
[M+H-H2O]+ 398.10516 196.5
[M+HCOO]- 460.10610 224.1
[M+CH3COO]- 474.12175 242.1
[M+Na-2H]- 436.08257 202.4
[M]+ 415.10735 204.8
[M]- 415.10845 204.8
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.