CID 409377

Nsc 20637

Structural Information

Molecular Formula
C16H20N10S
SMILES
C1=CC(=CC=C1N=C(N)N=C(N)N)SC2=CC=C(C=C2)N=C(N)N=C(N)N
InChI
InChI=1S/C16H20N10S/c17-13(18)25-15(21)23-9-1-5-11(6-2-9)27-12-7-3-10(4-8-12)24-16(22)26-14(19)20/h1-8H,(H6,17,18,21,23,25)(H6,19,20,22,24,26)
InChIKey
CZBHHSROUPCMMM-UHFFFAOYSA-N
Compound name
2-[4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]sulfanylphenyl]-1-(diaminomethylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1593 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16658 183.4
[M+Na]+ 407.14852 184.9
[M-H]- 383.15202 191.6
[M+NH4]+ 402.19312 192.8
[M+K]+ 423.12246 182.4
[M+H-H2O]+ 367.15656 171.7
[M+HCOO]- 429.15750 209.4
[M+CH3COO]- 443.17315 249.0
[M+Na-2H]- 405.13397 184.2
[M]+ 384.15875 175.3
[M]- 384.15985 175.3
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.