CID 6480856

863710-26-3

Structural Information

Molecular Formula
C19H21N7
SMILES
CN1C(=CC=C1C2=CC=C(C=C2)N=C(N)N)C3=CC=C(C=C3)N=C(N)N
InChI
InChI=1S/C19H21N7/c1-26-16(12-2-6-14(7-3-12)24-18(20)21)10-11-17(26)13-4-8-15(9-5-13)25-19(22)23/h2-11H,1H3,(H4,20,21,24)(H4,22,23,25)
InChIKey
LWIAKOSVPYQOFO-UHFFFAOYSA-N
Compound name
2-[4-[5-[4-(diaminomethylideneamino)phenyl]-1-methylpyrrol-2-yl]phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.18585 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19313 181.5
[M+Na]+ 370.17507 186.6
[M-H]- 346.17857 191.8
[M+NH4]+ 365.21967 193.5
[M+K]+ 386.14901 182.0
[M+H-H2O]+ 330.18311 170.8
[M+HCOO]- 392.18405 210.0
[M+CH3COO]- 406.19970 232.6
[M+Na-2H]- 368.16052 182.2
[M]+ 347.18530 176.0
[M]- 347.18640 176.0
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.